1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H24FNO6 — CID 18820628

About 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820628) has the molecular formula C31H24FNO6 and a molecular weight of 525.53 g/mol. Its IUPAC name is 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18820628
• Molecular Formula: C31H24FNO6
• Molecular Weight: 525.53 g/mol
• Exact Mass: 525.16
• IUPAC Name: 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1
• InChI: InChI=1S/C31H24FNO6/c1-2-36-26-15-20(10-12-25(26)38-18-19-7-4-3-5-8-19)28-27-29(34)23-16-21(32)11-13-24(23)39-30(27)31(35)33(28)17-22-9-6-14-37-22/h3-16,28H,2,17-18H2,1H3
• InChIKey: FCWBWUXZDWBJMQ-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 82.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.53
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820628) is 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1.

What is the InChIKey of 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is FCWBWUXZDWBJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FNO6/c1-2-36-26-15-20(10-12-25(26)38-18-19-7-4-3-5-8-19)28-27-29(34)23-16-21(32)11-13-24(23)39-30(27)31(35)33(28)17-22-9-6-14-37-22/h3-16,28H,2,17-18H2,1H3.

What are the key properties of 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 525.53 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).